SCHEMBL3127068

SCHEMBL3127068

CC(C)CCCC(N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.59
SLC6A2 P23975 2/20 0.55
TAAR1 Q96RJ0 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
MAOA P21397 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
CYP2A6 P11509 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
ANPEP P15144 3/20 0.52
CYP2D6 P10635 1/20 0.52
CSNK1E P49674 1/20 0.46
RNPEP Q9H4A4 2/20 0.45
DNPEP Q9ULA0 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
LAP3 P28838 3/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4303544 0.90 EPHX1 (0.73) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL3124409 0.88 EPHX1 (0.64) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL20466361 0.86 EPHX1 (0.73) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL4302698 0.86 EPHX1 (0.73) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL9182651 0.84 EPHX1 (0.70) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL3847568 0.82 EPHX1 (0.61) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL21469786 0.82 EPHX1 (0.61) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL2736189 0.81 EPHX1 (0.80) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL902607 0.81 EPHX1 (0.80) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL18034347 0.81 EPHX1 (0.80) EPHX1SLC6A2TAAR1SIGMAR1MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 EPHX1 390/4885SLC6A2 2176/4885TAAR1 374/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.